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	hartrees
Energy at 0K	-637.328877
Energy at 298.15K	-637.331202
HF Energy	-637.328877
Nuclear repulsion energy	149.986845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3317	3159	0.95
2	A'	3207	3054	8.44
3	A'	1772	1688	148.26
4	A'	1411	1343	6.96
5	A'	1237	1178	184.79
6	A'	981	934	25.13
7	A'	704	671	47.29
8	A'	438	417	1.46
9	A'	370	352	0.13
10	A"	890	847	56.76
11	A"	742	706	0.15
12	A"	550	524	0.20

Atom	x (Å)	y (Å)
C1	0.000	0.459
C2	-1.016	1.297
F3	1.259	0.840
Cl4	-0.140	-1.258
H5	-0.820	2.361
H6	-2.031	0.932

	C1	C2	F3	Cl4	H5	H6
C1		1.3174	1.3152	1.7227	2.0714	2.0850
C2	1.3174		2.3202	2.7017	1.0812	1.0785
F3	1.3152	2.3202		2.5218	2.5758	3.2906
Cl4	1.7227	2.7017	2.5218		3.6824	2.8932
H5	2.0714	1.0812	2.5758	3.6824		1.8726
H6	2.0850	1.0785	3.2906	2.8932	1.8726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.115	C1	C2	H6	120.640
C2	C1	F3	123.605	C2	C1	Cl4	124.876
F3	C1	Cl4	111.519	H5	C2	H6	120.245

All results from a given calculation for C₂H₂ClF (1-chloro-1-fluoroethylene)

using model chemistry: M06-2X/6-31G(2df,p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	0.339
2	C	-0.438
3	F	-0.112
4	Cl	-0.118
5	H	0.160
6	H	0.168

	x	y	z	Total
	-0.979	0.807	0.000	1.269
CHELPG
AIM
ESP

	x	y	z
x	5.054	-0.851	0.000
y	-0.851	6.858	0.000
z	0.000	0.000	2.956

<r²>	94.423
(<r²>)^1/2	9.717

All results from a given calculation for C2H2ClF (1-chloro-1-fluoroethylene)

using model chemistry: M06-2X/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₂ClF (1-chloro-1-fluoroethylene)